Molecule

ID:98737

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁FN₂
Molecular Mass
202.2275432
Exact Mass
202.09062658
Charge
0
InChI
InChI=1S/C12H11FN2/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8,15H,14H2
InChIKey
OYGRPIXAYJLZEN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1Nc1ccccc1F
Isomeric Smiles
N(c1ccccc1F)c1ccccc1N
Calculated Properties
JChem
Acid pKa
17.136965
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.7244527
LogD (pH = 7.4)
2.726916
Log P
2.7269475
Molar Refractivity
59.461
Polarizability
21.849298
Polar Surface Area
38.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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